8-bromanyl-1-[(4-chlorophenyl)methyl]-7-methyl-3-propyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-1-[(4-chlorophenyl)methyl]-7-methyl-3-propyl-purine-2,6-dione Openeye Name: 8-bromo-1-[(4-chlorophenyl)methyl]-7-methyl-3-propyl-purine-2,6-dione CAS Name: 8-bromo-1-[(4-chlorophenyl)methyl]-7-methyl-3-propylpurine-2,6-dione IUPAC Name: 8-bromo-1-[(4-chlorophenyl)methyl]-7-methyl-3-propylpurine-2,6-dione Traditional Name: 8-bromo-1-(4-chlorobenzyl)-7-methyl-3-propyl-xanthine Formula: C16H16BrClN4O2 MolecularWeight: 411.68084

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Cl)N(C(=N2)Br)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Cl)N(C(=N2)Br)C

InChI

InChI=1S/C16H16BrClN4O2/c1-3-8-21-13-12(20(2)15(17)19-13)14(23)22(16(21)24)9-10-4-6-11(18)7-5-10/h4-7H,3,8-9H2,1-2H3